CID 170901178

Sgcrwympouzfth-uhfffaoysa-n

Structural Information

Molecular Formula
C12H28N4
SMILES
CC(C)CC(=NCCNCCNCCN)C
InChI
InChI=1S/C12H28N4/c1-11(2)10-12(3)16-9-8-15-7-6-14-5-4-13/h11,14-15H,4-10,13H2,1-3H3
InChIKey
SGCRWYMPOUZFTH-UHFFFAOYSA-N
Compound name
N'-[2-[2-(4-methylpentan-2-ylideneamino)ethylamino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.2314 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.23868 160.1
[M+Na]+ 251.22062 164.8
[M+NH4]+ 246.26522 166.0
[M+K]+ 267.19456 159.5
[M-H]- 227.22412 161.0
[M+Na-2H]- 249.20607 161.5
[M]+ 228.23085 160.3
[M]- 228.23195 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.